First-row transition metal carbide nanosheets as high-performance cathode materials for lithium–sulfur batteries
Imran Muhammad, Shehzad Ahmed, Zhen Yao, Danish Khan, Tanveer Hussain, Yang‐Gang Wang
Abstract
molecular dynamics simulations for lithiated polysulfide species anchored on a TMC-based model with a liquid-electrolyte medium. The microscopic reaction mechanism, revealed by the evolution of the reaction voltage during lithiation, demonstrates that the dissolution of high-order lithium-polysulfides in the electrolytes can be prevented due to their robust interaction with TMC-based cathode materials. These appealing features suggest that TMCs present colossal performance improvements for anchoring lithium-polysulfides, stimulating the active design of sulfur cathodes for practical Li-S batteries.
Topics & Concepts
Materials scienceCathodeLithium (medication)SulfurTransition metalLithium metalCarbideMetalLithium–sulfur batteryNanotechnologyInorganic chemistryMetallurgyChemistryElectrolytePhysical chemistryOrganic chemistryElectrodeEndocrinologyMedicineCatalysisAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesInorganic Chemistry and Materials